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2H-1-Benzopyran-8-carboxaldehyde, 3,4-dihydro-7-hydroxy-5-methoxy-2-phenyl-, (S)-
SpectraBase Compound ID CsOk3SpZaTq
InChI InChI=1S/C17H16O4/c1-20-16-9-14(19)13(10-18)17-12(16)7-8-15(21-17)11-5-3-2-4-6-11/h2-6,9-10,15,19H,7-8H2,1H3/t15-/m0/s1
InChIKey UBINNNIPLXDQBF-HNNXBMFYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3y8QUDvSYTf
Name 2H-1-Benzopyran-8-carboxaldehyde, 3,4-dihydro-7-hydroxy-5-methoxy-2-phenyl-, (S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.104858991 u
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-20-16-9-14(19)13(10-18)17-12(16)7-8-15(21-17)11-5-3-2-4-6-11/h2-6,9-10,15,19H,7-8H2,1H3/t15-/m0/s1
InChIKey UBINNNIPLXDQBF-HNNXBMFYSA-N
SMILES C1=2C(=C(O)C=C(C2CC[C@](O1)(C=1C=CC=CC1)[H])OC)C=O